6,7-bis(fluoranyl)-5-nitro-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,7-bis(fluoranyl)-5-nitro-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,7-difluoro-1-isoxazol-3-yl-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,7-difluoro-1-(3-isoxazolyl)-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,7-difluoro-5-nitro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,7-difluoro-1-isoxazol-3-yl-4-keto-5-nitro-quinoline-3-carboxylic acid Formula: C13H5F2N3O6 MolecularWeight: 337.192106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1N2C=C(C(=O)C3=C(C(=C(C=C32)F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CON=C1N2C=C(C(=O)C3=C(C(=C(C=C32)F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H5F2N3O6/c14-6-3-7-9(11(10(6)15)18(22)23)12(19)5(13(20)21)4-17(7)8-1-2-24-16-8/h1-4H,(H,20,21)